AG000Q2F

1200-07-3 | 2-Propenoic acid, 3-(4-bromophenyl)-

AG000Q2F

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CAS Number	1200-07-3
Catalog Number	AG000Q2F(AGN-PC-0JM3TB)
Chemical Name	2-Propenoic acid, 3-(4-bromophenyl)-
EC Number	214-850-7
IUPAC Name	(E)-3-(4-bromophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChI Key	CPDDDTNAMBSPRN-ZZXKWVIFSA-N
MDL Number	MFCD00004394
Molecular Formula	C9H7BrO2
Molecular Weight	227.0547
NSC Number	218449
SMILES	O=C(O)/C=C/C1=CC=C(Br)C=C1
Synonyms	4-Bromocinnamic acid, 1200-07-3, p-Bromocinnamic acid, 3-(4-bromophenyl)acrylic acid, trans-4-Bromocinnamic acid, (2E)-3-(4-bromophenyl)prop-2-enoic acid, bromocinnamic acid,4-, (E)-3-(4-bromophenyl)acrylic acid, 2-Propenoic acid, 3-(4-bromophenyl)-, (2E)-, 4-Bromocinnamic acid, predominantly trans, RARECHEM BK HD C006, (2E)-3-(4-BROMOPHENYL)ACRYLIC ACID, CPDDDTNAMBSPRN-ZZXKWVIFSA-N, 17916-60-8, MFCD00004394, (E)-3-(4-Bromo-phenyl)-acrylic acid, (E)-3-(4-bromophenyl)prop-2-enoic acid, p-Bromzimtsaure, 3-(4-bromophenyl)prop-2-enoicacid, PubChem3758, 4-bromo cinnamic acid, AC1LEJQ7, 4-Bromobenzeneacrylic acid, (E)-4-bromocinnamic acid, 4-Bromocinnamic acid 98%, AC1Q25ZN, 4-Bromo-trans-cinnamic acid, CHEMBL98045, SCHEMBL119183, AC1Q260T, AC1Q71G7, 3-(4-Bromo-phenyl)-acrylicacid, CPDDDTNAMBSPRN-ZZXKWVIFSA-, 3-(4-bromo-phenyl)-acrylic acid, ZINC164560, 3-(4-bromophenyl)-2-propenoicaci, ALBB-011724, E-3-(4-bromophenyl)propenoic acid, BBL037328, NSC218449, SBB059537, STK301576, AKOS000263376, AKOS025149076, AB00374, AS03178, CS-W013013, NSC-218449, PS-5778, RP17545, RTR-003324, 4-bromocinnamic acid,predominantly trans, NCGC00342454-01, AC-10323, AJ-16212, BC002564, SC-00565, (2E)-3-(4-Bromophenyl)-2-propenoic acid, AB0008360, AB1004203, AB1007838, AX8007367, ST2417364, TC-164181, TR-003324, 3-(4-BROMOPHENYL)-2-PROPENOIC ACID, ST45061292, EN300-17554, M-1879, 4-bromocinnamic acid, 98%, predominantly trans, 4-Bromocinnamic acid, predominantly trans, 98%, AB01102359-03, SR-01000597221, I01-3070, I01-6608, SR-01000597221-1, W-108489, F0850-6838, 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide, 3-(4-Bromophenyl) acrylic acid; 3-(4-bromophenyl)-2-propenoic acid; p-Bromocinnamic acid, InChI=1/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+, DQZ, null, C9H7BrO2, 4-BROMOCINNAMICACID, C9-H7-Br-O2, 3-(4-bromophenyl)propanoic acid, Cinnamic acid, p-bromo-, (E)-, OTAVA-BB 1512693, EINECS 214-850-7, 2-Propenoic acid, 3-(4-bromophenyl)-, AR-1E6802, AR-1E6803, CID737158, 3-(4-bromophenyl)prop-2-enoic acid, 50663-21-3, BRN 1939350, 4-Bromocinnamic acid, predominantly trans,, B1690, 4-Bromocinnamic acid, 99% - 100G 100g, 2-Propenoic acid, 3-(4-bromophenyl)-, (E)-, 0-09-00-00597 (Beilstein Handbook Reference), 12045-19-1, 510-38-3, 7499-56-1,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	225.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.057g/mol
Monoisotopic Mass	225.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number